3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[[6-(4-ethylpiperazino)-3-pyridyl]methyl]propionamide Formula: C22H32N6OS MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H32N6OS/c1-5-27-10-12-28(13-11-27)20-8-6-18(14-23-20)15-24-21(29)9-7-19-16(2)25-22(30-4)26-17(19)3/h6,8,14H,5,7,9-13,15H2,1-4H3,(H,24,29)